7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine

C18H18N4O2 — CID 130251286

IUPAC7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine
SMILESCC(C)c1ncc2occ(CC(C)c3cc4cnoc4cn3)c2n1
InChIInChI=1S/C18H18N4O2/c1-10(2)18-20-8-16-17(22-18)13(9-23-16)4-11(3)14-5-12-6-21-24-15(12)7-19-14/h5-11H,4H2,1-3H3
InChIKeyZSZKYSFODPECTB-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.23
Rot. Bonds4

About 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine

7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine (PubChem CID 130251286) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine
PubChem CID130251286
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine
SMILESCC(C)c1ncc2occ(CC(C)c3cc4cnoc4cn3)c2n1
InChIInChI=1S/C18H18N4O2/c1-10(2)18-20-8-16-17(22-18)13(9-23-16)4-11(3)14-5-12-6-21-24-15(12)7-19-14/h5-11H,4H2,1-3H3
InChIKeyZSZKYSFODPECTB-UHFFFAOYSA-N
XLogP4.23
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine (CID 130251286) is 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine is CC(C)c1ncc2occ(CC(C)c3cc4cnoc4cn3)c2n1.
What is the InChIKey of 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine?
The InChIKey is ZSZKYSFODPECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(2)18-20-8-16-17(22-18)13(9-23-16)4-11(3)14-5-12-6-21-24-15(12)7-19-14/h5-11H,4H2,1-3H3.
What are the key properties of 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine?
7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine has a molecular weight of 322.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-([1,2]oxazolo[5,4-c]pyridin-5-yl)propyl]-2-propan-2-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 130251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).